SCHEMBL1077940

SCHEMBL1077940

Cc1nc(C(N)=O)c(C)n1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ HTR2A P28223 12/20 0.45
▸ SLC6A4 P31645 12/20 0.45
▸ HTR2C P28335 11/20 0.45
▸ HCAR1 Q9BXC0 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1078087 0.85 NOTUM (0.47) NOTUMHTR2ASLC6A4HTR2C
SCHEMBL1077551 0.84 HTR2A (0.47) NOTUMHTR2ASLC6A4HTR2CHCAR1
SCHEMBL1076424 0.81 TSHR (0.51) HTR2ASLC6A4HTR2C
SCHEMBL16063426 0.80 CNR1 (0.54) MEN1KMT2A
SCHEMBL30153810 0.75 MAPT (0.49) NOTUM
SCHEMBL30387381 0.73 WNT3A (0.64) KMT2A
SCHEMBL20604253 0.73 WNT3A (0.64) KMT2A
SCHEMBL1079479 0.71 PIK3R2 (0.51) NOTUMHTR2ASLC6A4HTR2CMEN1
SCHEMBL16935876 0.70 HCAR1 (0.47) HCAR1
SCHEMBL16935859 0.70 NOTUM (0.55) NOTUMHTR2ASLC6A4HTR2CHCAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 — — WO claimed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 — — WO disclosed
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